2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53

InChI

InChI=1S/C25H25N5O4S/c1-2-16-7-5-6-14-28(16)21(31)15-35-25-27-22-19-8-3-4-9-20(19)26-23(22)24(32)29(25)17-10-12-18(13-11-17)30(33)34/h3-4,8-13,16,26H,2,5-7,14-15H2,1H3